4LAO
Crystal structure of Cordyceps militaris IDCase H195A mutant (Zn)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-19 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9792 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 144.365, 57.510, 105.563 |
Unit cell angles | 90.00, 105.31, 90.00 |
Refinement procedure
Resolution | 45.330 - 2.000 |
R-factor | 0.1704 |
Rwork | 0.169 |
R-free | 0.20520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hk5 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.978 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.062 | 0.031 | 0.355 |
Number of reflections | 55498 | ||
<I/σ(I)> | 11.2 | ||
Completeness [%] | 97.9 | 97.3 | 97.1 |
Redundancy | 4.2 | 4 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | sitting drop | 5.6 | 289 | 30% polyethylene glycol 4000, 0.2M NH4Ac, 2mM ZnCl2, 0.1M sodium citrate, pH 5.6, sitting drop, temperature 289K |